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H312 H -1.28573 0.38370 1.11664 0.00000 Uiso 1.00 H313 H -1.22643 0.32660 1.17717 0.00000 Uiso 1.00 H314 H -1.28526 0.14775 1.18657 0.00000 Uiso 1.00 H315 H -1.22800 0.08876 1.12434 0.00000 Uiso 1.00 H316 H -1.08686 0.20047 1.14826 0.00000 Uiso 1.00 H317 H -1.14315 0.25921 1.21026 0.00000 Uiso 1.00 H318 H -1.08742 0.17072 1.04411 0.00000 Uiso 1.00 H319 H -1.02809 0.11198 0.98500 0.00000 Uiso 1.00 H320 H -1.07840 -0.03569 1.08371 0.00000 Uiso 1.00 H321 H -1.14060 0.02506 1.13859 0.00000 Uiso 1.00 H322 H -1.46753 0.31947 1.09035 0.00000 Uiso 1.00 H323 H -1.52780 0.38215 1.03754 0.00000 Uiso 1.00 H324 H -1.40580 0.51584 1.05615 0.00000 Uiso 1.00 H325 H -1.34841 0.45528 1.11464 0.00000 Uiso 1.00 C326 C -2.00222 -0.00814 2.00007 0.00000 Uiso 1.00 C327 C -1.50625 0.49241 2.00019 0.00000 Uiso 1.00 C328 C -2.00569 0.49229 1.50036 0.00000 Uiso 1.00 Li329 Li 0.45949 0.52783 0.13757 0.00000 Uiso 1.00 Li330 Li 0.33736 0.26455 0.85602 0.00000 Uiso 1.00 Li331 Li 0.13197 0.50791 0.44389 0.00000 Uiso 1.00 Li332 Li 0.52296 0.90071 0.60457 0.00000 Uiso 1.00 Li333 Li 0.84888 0.55113 0.51124 0.00000 Uiso 1.00 Li334 Li 0.62102 0.15523 0.27063 0.00000 Uiso 1.00 Li335 Li 0.35571 0.97999 -0.54313 0.00000 Uiso 1.00 Li336 Li 0.13872 0.73633 0.36966 0.00000 Uiso 1.00 Li337 Li 0.78891 0.76216 0.89604 0.00000 Uiso 1.00 Li338 Li 0.14082 0.76006 0.15349 0.00000 Uiso 1.00 Li339 Li 0.15636 0.25939 0.63210 0.00000 Uiso 1.00 Li340 Li 0.79323 0.22214 0.11373 0.00000 Uiso 1.00 Li341 Li 0.97353 0.40297 0.39329 0.00000 Uiso 1.00 Li342 Li 0.13804 0.24721 0.84089 0.00000 Uiso 1.00 Li343 Li 0.44942 0.47137 0.85444 0.00000 Uiso 1.00 Li344 Li 0.13614 0.00824 0.94133 0.00000 Uiso 1.00 Li345 Li 0.60708 0.59336 0.99265 0.00000 Uiso 1.00 Li346 Li 0.60497 0.39402 0.00922 0.00000 Uiso 1.00 Li347 Li 0.73085 0.79149 0.60353 0.00000 Uiso 1.00 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _ccdc_geom_bond_type C1 C14 1.411 . A C1 C18 1.413 . A C1 C230 1.549 1_545 S C2 C9 1.407 . A C2 C13 1.489 . S C2 C230 1.546 1_545 S C3 C4 1.413 . A C3 C5 1.412 . A C3 C328 1.553 1_655 S C4 C8 1.400 . A C4 H19 1.080 . S C5 C6 1.397 . A C5 H20 1.083 . S C6 C7 1.406 . A C6 H21 1.082 . S C7 C8 1.406 . A C7 C270 1.495 . S C8 H22 1.082 . S C9 C10 1.398 . A C9 H23 1.083 . S C10 C11 1.407 . A C10 H24 1.083 . S C11 C12 1.404 . A C11 C33 1.489 . S C12 C13 1.395 . A C12 H25 1.083 . S C13 H26 1.081 . S C14 C15 1.396 . A C14 H27 1.083 . S C15 C16 1.405 . A C15 H28 1.082 . S C16 C17 1.405 . A C16 C260 1.491 . S C17 C18 1.399 . A C17 H29 1.082 . S C18 H30 1.081 . S C31 C34 1.403 . A C31 C38 1.404 . A C31 C77 1.489 . S C32 C44 1.406 . A C32 C48 1.406 . A C32 C257 1.495 . S C33 C39 1.405 . A C33 C43 1.404 . A C34 C35 1.398 . A C34 H49 1.083 . S C35 C36 1.414 . A C35 H50 1.082 . S C36 C37 1.414 . A C36 C327 1.554 . S C37 C38 1.401 . A C37 H51 1.082 . S C38 H52 1.083 . S C39 C40 1.398 . A C39 H53 1.083 . S C40 C41 1.412 . A C40 H54 1.082 . S C41 C42 1.414 . A C41 C61 1.551 . S C42 C43 1.398 . A C42 H55 1.081 . S C43 H56 1.083 . S C44 C45 1.398 . A C44 H57 1.082 . S C45 C46 1.413 . A C45 H58 1.081 . S C46 C47 1.412 . A C46 C193 1.552 . S C47 C48 1.399 . A C47 H59 1.083 . S C48 H60 1.082 . S C61 C62 1.551 . S C61 C63 1.552 . S C61 C64 1.552 . S C62 C65 1.414 . A C62 C69 1.413 . A C63 C70 1.413 . A C63 C74 1.412 . A C64 C75 1.414 . A C64 C79 1.413 . A C65 C66 1.398 . A C65 H104 1.082 . S C66 C67 1.402 . A C66 H105 1.083 . S C67 C68 1.404 . A C67 C95 1.485 . S C68 C69 1.399 . A C68 H106 1.083 . S C69 H107 1.081 . S C70 C71 1.400 . A C70 H108 1.081 . S C71 C72 1.406 . A C71 H109 1.082 . S C72 C73 1.406 . A C72 C81 1.497 . S C73 C74 1.399 . A C73 H110 1.082 . S C74 H111 1.082 . S C75 C76 1.399 . A C75 H112 1.081 . S C76 C77 1.403 . A C76 H113 1.083 . S C77 C78 1.404 . A C78 C79 1.399 . A C78 H114 1.083 . S C79 H115 1.082 . S C80 C87 1.403 . A C80 C91 1.401 . A C80 C138 1.485 . S C81 C82 1.406 . A C81 C86 1.406 . A C82 C83 1.401 . A C82 H116 1.082 . S C83 C84 1.414 . A C83 H117 1.080 . S C84 C85 1.413 . A C84 C326 1.554 . S C85 C86 1.399 . A C85 H118 1.083 . S C86 H119 1.082 . S C87 C88 1.399 . A C87 H120 1.083 . S C88 C89 1.413 . A C88 H121 1.083 . S C89 C90 1.416 . A C89 C328 1.554 . S C90 C91 1.398 . A C90 H122 1.080 . S C91 H123 1.083 . S C92 C93 1.413 . A C92 C97 1.415 . A C92 C328 1.554 . S C93 C94 1.399 . A C93 H124 1.083 . S C94 C95 1.403 . A C94 H125 1.083 . S C95 C96 1.401 . A C96 C97 1.398 . A C96 H126 1.083 . S C97 H127 1.080 . S C98 C99 1.403 . A C98 C103 1.405 . A C98 C212 1.488 . S C99 C100 1.398 . A C99 H128 1.083 . S C100 C101 1.414 . A C100 H129 1.081 . S C101 C102 1.412 . A C101 C132 1.551 . S C102 C103 1.398 . A C102 H130 1.082 . S C103 H131 1.083 . S C132 C133 1.552 . S C132 C134 1.551 . S C132 C135 1.552 . S C133 C146 1.413 . A C133 C150 1.412 . A C134 C136 1.414 . A C134 C140 1.413 . A C135 C141 1.414 . A C135 C145 1.413 . A C136 C137 1.398 . A C136 H169 1.083 . S C137 C138 1.402 . A C137 H170 1.083 . S C138 C139 1.404 . A C139 C140 1.399 . A C139 H171 1.083 . S C140 H172 1.081 . S C141 C142 1.399 . A C141 H173 1.081 . S C142 C143 1.403 . A C142 H174 1.083 . S C143 C144 1.404 . A C143 C152 1.488 . S C144 C145 1.399 . A C144 H175 1.083 . S C145 H176 1.082 . S C146 C147 1.400 . A C146 H177 1.081 . S C147 C148 1.407 . A C147 H178 1.082 . S C148 C149 1.406 . A C148 C153 1.497 . S C149 C150 1.399 . A C149 H179 1.082 . S C150 H180 1.082 . S C151 C154 1.405 . A C151 C158 1.405 . A C151 C199 1.491 . S C152 C159 1.404 . A C152 C163 1.403 . A C153 C164 1.406 . A C153 C168 1.407 . A C154 C155 1.399 . A C154 H181 1.082 . S C155 C156 1.413 . A C155 H182 1.081 . S C156 C157 1.411 . A C156 C230 1.548 . S C157 C158 1.396 . A C157 H183 1.083 . S C158 H184 1.082 . S C159 C160 1.400 . A C159 H185 1.083 . S C160 C161 1.414 . A C160 H186 1.082 . S C161 C162 1.414 . A C161 C327 1.554 1_554 S C162 C163 1.398 . A C162 H187 1.082 . S C163 H188 1.083 . S C164 C165 1.399 . A C164 H189 1.082 . S C165 C166 1.413 . A C165 H190 1.083 . S C166 C167 1.414 . A C166 C326 1.555 1_564 S C167 C168 1.401 . A C167 H191 1.080 . S C168 H192 1.082 . S C193 C194 1.554 . S C193 C195 1.553 . S C193 C196 1.554 . S C194 C202 1.414 . A C194 C206 1.414 . A C195 C197 1.413 . A C195 C201 1.414 . A C196 C207 1.411 . A C196 C211 1.412 . A C197 C198 1.397 . A C197 H231 1.083 . S C198 C199 1.405 . A C198 H232 1.082 . S C199 C200 1.405 . A C200 C201 1.398 . A C200 H275 1.083 . S C201 H233 1.081 . S C202 C203 1.399 . A C202 H234 1.081 . S C203 C204 1.403 . A C203 H235 1.083 . S C204 C205 1.402 . A C204 C214 1.486 . S C205 C206 1.400 . A C205 H236 1.083 . S C206 H237 1.083 . S C207 C208 1.398 . A C207 H238 1.083 . S C208 C209 1.408 . A C208 H239 1.082 . S C209 C210 1.408 . A C209 C213 1.501 . S C210 C211 1.399 . A C210 H240 1.081 . S C211 H241 1.080 . S C212 C225 1.404 . A C212 C229 1.404 . A C213 C220 1.408 . A C213 C224 1.409 . A C214 C215 1.401 . A C214 C219 1.403 . A C215 C216 1.399 . A C215 H242 1.083 . S C216 C217 1.416 . A C216 H243 1.079 . S C217 C218 1.414 . A C217 C326 1.557 1_665 S C218 C219 1.400 . A C218 H244 1.083 . S C219 H245 1.083 . S C220 C221 1.398 . A C220 H246 1.082 . S C221 C222 1.411 . A C221 H247 1.082 . S C222 C223 1.411 . A C222 C327 1.552 . S C223 C224 1.399 . A C223 H248 1.082 . S C224 H249 1.081 . S C225 C226 1.399 . A C225 H250 1.083 . S C226 C227 1.414 . A C226 H251 1.081 . S C227 C228 1.412 . A C227 C230 1.550 . S C228 C229 1.397 . A C228 H252 1.083 . S C229 H253 1.083 . S C230 C1 1.549 1_565 S C230 C2 1.546 1_565 S C254 C255 1.413 . A C254 C259 1.412 . A C254 C328 1.553 1_655 S C255 C256 1.400 . A C255 H276 1.080 . S C256 C257 1.406 . A C256 H277 1.082 . S C257 C258 1.406 . A C258 C259 1.397 . A C258 H278 1.082 . S C259 H279 1.083 . S C260 C261 1.405 . A C260 C265 1.405 . A C261 C262 1.398 . A C261 H280 1.083 . S C262 C263 1.413 . A C262 H281 1.081 . S C263 C264 1.413 . A C263 C266 1.553 . S C264 C265 1.397 . A C264 H282 1.083 . S C265 H283 1.082 . S C266 C267 1.552 . S C266 C273 1.554 . S C266 C274 1.554 . S C267 C268 1.412 . A C267 C272 1.413 . A C268 C269 1.399 . A C268 H284 1.083 . S C269 C270 1.406 . A C269 H285 1.082 . S C270 C271 1.406 . A C271 C272 1.398 . A C271 H286 1.082 . S C272 H287 1.081 . S C273 C288 1.412 . A C273 C292 1.411 . A C274 C293 1.414 . A C274 C297 1.414 . A C288 C289 1.399 . A C288 H310 1.080 . S C289 C290 1.408 . A C289 H311 1.081 . S C290 C291 1.408 . A C290 C298 1.501 . S C291 C292 1.398 . A C291 H312 1.082 . S C292 H313 1.083 . S C293 C294 1.400 . A C293 H314 1.083 . S C294 C295 1.403 . A C294 H315 1.083 . S C295 C296 1.403 . A C295 C299 1.487 . S C296 C297 1.399 . A C296 H316 1.083 . S C297 H317 1.081 . S C298 C305 1.408 . A C298 C309 1.408 . A C299 C300 1.402 . A C299 C304 1.406 . A C300 C301 1.395 . A C300 H318 1.083 . S C301 C302 1.491 . S C301 H319 1.080 . S C302 C303 1.409 . A C302 C326 1.553 1_654 S C303 C304 1.401 . A C303 H320 1.083 . S C304 H321 1.083 . S C305 C306 1.399 . A C305 H322 1.081 . S C306 C307 1.411 . A C306 H323 1.082 . S C307 C308 1.411 . A C307 C327 1.552 1_554 S C308 C309 1.398 . A C308 H324 1.082 . S C309 H325 1.082 . S C326 C217 1.557 1_445 S C326 C166 1.555 1_546 S C326 C302 1.553 1_456 S C327 C161 1.554 1_556 S C327 C307 1.552 1_556 S C328 C3 1.553 1_455 S C328 C254 1.553 1_455 S